ChemSpider 2D Image | 3-(2-Nitropropyl)-1H-indole | C11H12N2O2

3-(2-Nitropropyl)-1H-indole

  • Molecular FormulaC11H12N2O2
  • Average mass204.225 Da
  • Monoisotopic mass204.089874 Da
  • ChemSpider ID57468218

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Indole, 3-(2-nitropropyl)- [ACD/Index Name]
3-(2-Nitropropyl)-1H-indol [German] [ACD/IUPAC Name]
3-(2-Nitropropyl)-1H-indole [ACD/IUPAC Name]
3-(2-Nitropropyl)-1H-indole [French] [ACD/IUPAC Name]
4771-72-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 404.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.4±24.0 °C
Index of Refraction: 1.633
Molar Refractivity: 58.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.70
ACD/KOC (pH 5.5): 476.15
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 31.41
ACD/KOC (pH 7.4): 386.43
Polar Surface Area: 62 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 164.4±3.0 cm3

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